diff --git a/python/BioSimSpace/Process/_plumed.py b/python/BioSimSpace/Process/_plumed.py index f18d87995..60966630c 100644 --- a/python/BioSimSpace/Process/_plumed.py +++ b/python/BioSimSpace/Process/_plumed.py @@ -470,7 +470,8 @@ def createConfig(self, system, protocol, is_restart=False): num_atoms = system._sire_object.molecule(molecule).nAtoms() # Create the ligand record. Rember to one-index the atoms. - string += "lig: COM=%d-%d" % (idx+1, idx+num_atoms) + colvar_string = "lig: COM=%d-%d" % (idx+1, idx+num_atoms) + self._config.append(colvar_string) # Create the center-of-mass record for the atoms that are used # to define the funnel origin.